Geometry & MOs

Info

ID:	51298
PubChem CID:	12013944
Reduced:	ClNO4H18C20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	399.123736
ΔH_f, kcal/mol:	-80.88
Dipole, Da:	4.17
IP(EA), eV:	-8.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[(3S,5R)-5-(2-methylpropoxy)-2-phenyl-1,2-oxazolidin-3-yl]chromen-4-one

Drug info:

PubChemData

Smile

CCO[C@H]1C[C@H](N(O1)C2=CC=CC=C2)C3=COC4=C(C3=O)C=C(C=C4)Cl

DOS

IR

Vibrations